2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane

C13H22 — CID 123191792

IUPAC2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane
SMILESCCCCC=C1CC(C)C2C(C)C12
InChIInChI=1S/C13H22/c1-4-5-6-7-11-8-9(2)12-10(3)13(11)12/h7,9-10,12-13H,4-6,8H2,1-3H3
InChIKeySRBQVJOSXWYVKN-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.02
Rot. Bonds3

About 2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane

2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane (PubChem CID 123191792) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane
PubChem CID123191792
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane
SMILESCCCCC=C1CC(C)C2C(C)C12
InChIInChI=1S/C13H22/c1-4-5-6-7-11-8-9(2)12-10(3)13(11)12/h7,9-10,12-13H,4-6,8H2,1-3H3
InChIKeySRBQVJOSXWYVKN-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4Z)-3-methyl-2-(3-methylcyclobuten-1-yl)-1-methylidene-4-pentylidenecyclohexane
CID 142803991
(3E)-1-methyl-3-pentylidenecyclohexane
CID 6377600
1-methyl-2-nonylidenecyclopentane
CID 123463809
(3R,4Z)-3-ethenyl-4-pentylideneoxolane
CID 11457887
1,2-di(pentylidene)cyclohexane
CID 11356709
pentylidenecyclopentadecane
CID 151655236
4-pentylidenecyclohexan-1-amine
CID 79880726
(1R,2Z)-2-octylidenecyclopentan-1-ol
CID 177383761
(2R,5E)-2-methyl-5-pentylidene-1-propylpiperidin-4-one
CID 101478101
(3Z,5S)-3-hexylidene-5-methyloxolan-2-one
CID 58599698
2-[(E)-hex-1-enyl]cyclopropan-1-one
CID 131236727
2,6-di(pentylidene)cyclohexan-1-one
CID 70979876

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane?
The IUPAC name of 2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane (CID 123191792) is 2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane.
What is the SMILES notation for 2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane?
The canonical SMILES for 2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane is CCCCC=C1CC(C)C2C(C)C12.
What is the InChIKey of 2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane?
The InChIKey is SRBQVJOSXWYVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-4-5-6-7-11-8-9(2)12-10(3)13(11)12/h7,9-10,12-13H,4-6,8H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane?
2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane has a molecular weight of 178.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-pentylidenebicyclo[3.1.0]hexane is sourced from PubChem (CID 123191792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).